(2S)-2-(4-chlorophenoxy)propanoic acid
Basic information
- CAS
20421-35-6- Standard SMILES
C[C@H](Oc1ccc(Cl)cc1)C(=O)O- InChIKey
DKHJWWRYTONYHB-LURJTMIESA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0240218
Names & identifiers
- Preferred name
- (2S)-2-(4-chlorophenoxy)propanoic acid
- IUPAC
- (2S)-2-(4-chlorophenoxy)propanoic acid
- English name
- Propanoic acid, 2-(4-chlorophenoxy)-, (2S)-
- Molecular formula
- C9H9ClO3
- Molecular weight
- 200.62
Names & synonyms
(2S)-2-(4-chlorophenoxy)propanoic acidRefChem:398129853-413-020421-35-6Propanoic acid, 2-(4-chlorophenoxy)-, (2S)-(S)-2-(4-Chlorophenoxy)propanoic acidSCHEMBL2399722CHEMBL1907939EBC-06382(2S)-2-(4-chlorophenoxy)propanoicacid(s)-2-(4-chlorophenoxy)propionic acidEN300-178375
Show more names
G54641Z1508916088
Database identifiers
- CAS
20421-35-6- PubChem CID
- 736072
- ChEMBL
CHEMBL1907939- EC Number
- 853-413-0
- Nikkaji
- J475.246E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 92 · 92-95 °C(Press: 2 Torr)
- Density
- 1.307 · 1.307±0.06 g/cm3(Predicted)
- pka
- 3.14 · 3.14±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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